CID 23462274
1546141-35-8
Structural Information
- Molecular Formula
- C5H5ClF3N3
- SMILES
- CN1C(=NN=C1C(F)(F)F)CCl
- InChI
- InChI=1S/C5H5ClF3N3/c1-12-3(2-6)10-11-4(12)5(7,8)9/h2H2,1H3
- InChIKey
- CHOQGKRXVQWOKE-UHFFFAOYSA-N
- Compound name
- 3-(chloromethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 200.01968 | 133.2 |
[M+Na]+ | 222.00162 | 145.3 |
[M-H]- | 198.00512 | 129.5 |
[M+NH4]+ | 217.04622 | 151.5 |
[M+K]+ | 237.97556 | 141.6 |
[M+H-H2O]+ | 182.00966 | 124.1 |
[M+HCOO]- | 244.01060 | 146.3 |
[M+CH3COO]- | 258.02625 | 181.7 |
[M+Na-2H]- | 219.98707 | 138.0 |
[M]+ | 199.01185 | 132.2 |
[M]- | 199.01295 | 132.2 |
Literature stripe
No literature data available for this compound.